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1-(p-Chlorobenzyl)-5-(methoxycarbonyl)-1H-benzimidazole-2-(para - benzoic) Acid
SpectraBase Compound ID pMIoa93kvB
InChI InChI=1S/C23H17ClN2O4/c1-30-23(29)17-8-11-20-19(12-17)25-21(15-4-6-16(7-5-15)22(27)28)26(20)13-14-2-9-18(24)10-3-14/h2-12H,13H2,1H3,(H,27,28)
InChIKey JLNUUVVAFICNGJ-UHFFFAOYSA-N
Mol Weight 420.85 g/mol
Molecular Formula C23H17ClN2O4
Exact Mass 420.087685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEKdBlKGjkD
Name 1-(p-Chlorobenzyl)-5-(methoxycarbonyl)-1H-benzimidazole-2-(para - benzoic) Acid
Alternate Name(s) 4-[1-[(4-chlorophenyl)methyl]-5-methoxycarbonyl-2-benzimidazolyl]benzoic acid 4-[1-[(4-chlorophenyl)methyl]-5-methoxycarbonylbenzimidazol-2-yl]benzoic acid 4-[1-[(4-chlorophenyl)methyl]-5-methoxycarbonyl-benzimidazol-2-yl]benzoic acid 4-(1-(4-chlorobenzyl)-5-(methoxycarbonyl)-1H-benzo[d]imidazol-2-yl)benzoic acid
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Formula C23H17ClN2O4
InChI InChI=1S/C23H17ClN2O4/c1-30-23(29)17-8-11-20-19(12-17)25-21(15-4-6-16(7-5-15)22(27)28)26(20)13-14-2-9-18(24)10-3-14/h2-12H,13H2,1H3,(H,27,28)
InChIKey JLNUUVVAFICNGJ-UHFFFAOYSA-N
Molecular Weight 420.852 g/mol
SMILES OC(c1ccc(-c2[n](c3c(cc(C(=O)OC)cc3)n2)Cc2ccc(cc2)Cl)cc1)=O
SPLASH splash10-004i-0900100000-729c20924e8213a8658c
Source of Spectrum D9-334-151-16
Wiley ID 1550844